9-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane
Chemical Structure Depiction of
9-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane
9-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane
Compound characteristics
| Compound ID: | S687-2167 |
| Compound Name: | 9-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C25 H28 N4 O6 S |
| Smiles: | C1COC2(CCN(CC2)S(c2ccc3c(c2)OCCO3)(=O)=O)CC1Cc1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6754 |
| logD: | 2.0367 |
| logSw: | -2.8593 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.964 |
| InChI Key: | FKVBTMIAQOETNE-SFHVURJKSA-N |